Exact Mass: 149.0356

Exact Mass Matches: 149.0356

Found 104 metabolites which its exact mass value is equals to given mass value 149.0356, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Benzyl isothiocyanate

4-12-00-02276 (Beilstein Handbook Reference)

C8H7NS (149.0299)


Benzyl isothiocyanate, also known as alpha-isothiocyanatotoluene or isothiocyanic acid, benzyl ester, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl isothiocyanate is a mild, dusty, and horseradish tasting compound and can be found in a number of food items such as cabbage, garden onion, garden cress, and papaya, which makes benzyl isothiocyanate a potential biomarker for the consumption of these food products. Benzyl isothiocyanate (BITC) is an isothiocyanate found in plants of the mustard family . Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug. Benzyl isothiocyanate is a natural product found in Erucaria microcarpa, Simicratea welwitschii, and other organisms with data available. See also: Lepidium meyenii root (part of). Benzyl isothiocyanate is found in brassicas. Benzyl isothiocyanate is isolated from Tropaeolum majus (garden nasturtium) and Lepidium sativum (garden cress), also in other plants especially in the Cruciferae. Potential nutriceutical. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

3-Hydroxyaspartic acid

D-Aspartic acid,3-hydroxy-, (3S)-rel-

C4H7NO5 (149.0324)


A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids KEIO_ID H086

   

Benzyl thiocyanate

Thiocyanic acid, phenylmethyl ester

C8H7NS (149.0299)


Benzyl thiocyanate is found in brassicas. Benzyl thiocyanate is isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate LBB34-N) degradation produce Isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate LBB34-N) degradation production Benzyl thiocyanate is found in garden cress and brassicas.

   

Nereistoxin

4-(N,N-Dimethylamino)-1,2-dithiolane

C5H11NS2 (149.0333)


D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

   

Diethyldithiocarbamic acid

Diethyl[sulphanyl(carbonothioyl)]amine

C5H11NS2 (149.0333)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors

   

threo-3-Hydroxy-D-aspartate

D-(+)-THREO-BETA-HYDROXYASPARTIC ACID

C4H7NO5 (149.0324)


   

D-erythro-3-Hydroxyaspartate

D-Aspartic acid,3-hydroxy-, (3S)-rel-

C4H7NO5 (149.0324)


   

NSC 139979

DL-Threo-beta-Hydroxyaspartic Acid

C4H7NO5 (149.0324)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

2-Methylbenzothiazole

2-Methyl-1,3-benzothiazole

C8H7NS (149.0299)


Known as an aroma constituent of tea leaves. 2-Methylbenzothiazole is found in tea. 2-Methylbenzothiazole is found in tea. Known as an aroma constituent of tea leaves.

   

(3-Nitroamino)alanine

2-amino-3-(nitroamino)propanoic acid

C3H7N3O4 (149.0437)


(3-Nitroamino)alanine is found in mushrooms. (3-Nitroamino)alanine is isolated from Agaricus silvaticus (red staining mushroom

   

Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine

Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine

C5H11NS2 (149.0333)


Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine is present in meat aromas. Present in meat aromas

   

3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine

3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine

C8H7NS (149.0299)


3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is classified as a member of the Benzothiazines. Benzothiazines are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is considered to be slightly soluble (in water) and basic

   

2H-1,4-Benzothiazine

2H-1,4-Benzothiazine

C8H7NS (149.0299)


   

3-Hydroxy-L-aspartic acid

3-Hydroxyaspartic acid, (erythro-DL)-isomer

C4H7NO5 (149.0324)


   

(S)-2-Amino-3-(hydroxy(nitroso)amino)propanoic acid

(S)-2-Amino-3-(hydroxy(nitroso)amino)propanoic acid

C3H7N3O4 (149.0437)


   

Benzothiazine

2H-1,2-benzothiazine

C8H7NS (149.0299)


   

6-Aminopurin-8-one

6-Aminopurin-8-one

C5H3N5O (149.0338)


   

threo-hydroxyaspartic acid

3-Hydroxyaspartic acid, (erythro-DL)-isomer

C4H7NO5 (149.0324)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

Benzyl isothiocyanate

phenylmethyl isothiocyanate

C8H7NS (149.0299)


Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

6-Methylthieno[2,3-b]pyridine

6-Methylthieno[2,3-b]pyridine

C8H7NS (149.0299)


   

5-Methylthieno[3,2-b]pyridine

5-Methylthieno[3,2-b]pyridine

C8H7NS (149.0299)


   

Alanosine

[(2S)-2-amino-2-carboxyethyl]-hydroxyimino-oxidoazanium

C3H7N3O4 (149.0437)


D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2168 - Adenylosuccinate Synthetase Inhibitor

   

2-Methylbenzothiazole

2-Methylbenzothiazole

C8H7NS (149.0299)


CONFIDENCE standard compound; INTERNAL_ID 8786

   

D,L-Threo-3-Hydroxyaspartic Acid

D,L-Threo-3-Hydroxyaspartic Acid

C4H7NO5 (149.0324)


   

Benzyl Isothiocyanate_major

Benzyl Isothiocyanate_major

C8H7NS (149.0299)


   

(3-Nitroamino)alanine

2-amino-3-(nitroamino)propanoic acid

C3H7N3O4 (149.0437)


   

Spirotrypan

2-Methyl-1,3-benzothiazole

C8H7NS (149.0299)


   

4,6-dimethyl-1,3,5-dithiazinane

Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine

C5H11NS2 (149.0333)


   

4-Fluoro-3-formylbenzonitrile

4-Fluoro-3-formylbenzonitrile

C8H4FNO (149.0277)


   

2-Thienylpyrrole

2-Thienylpyrrole

C8H7NS (149.0299)


   

3-Fluoro-5-formylbenzonitrile

3-Fluoro-5-formylbenzonitrile

C8H4FNO (149.0277)


   

4-methyl-furazan-3-ylmethylamine hcl

4-methyl-furazan-3-ylmethylamine hcl

C4H8ClN3O (149.0356)


   

Thieno[3,2-c]pyridine,6-methyl-

Thieno[3,2-c]pyridine,6-methyl-

C8H7NS (149.0299)


   

2-Fluoro-5-formylbenzonitrile

2-Fluoro-5-formylbenzonitrile

C8H4FNO (149.0277)


   

4-Fluoro-2-formylbenzonitrile

4-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

phenylthioacetonitrile

phenylthioacetonitrile

C8H7NS (149.0299)


   

N-(2-mercaptoethyl)-1,3-thiazolidine

N-(2-mercaptoethyl)-1,3-thiazolidine

C5H11NS2 (149.0333)


   

4-(Methylsulfanyl)benzonitrile

4-(Methylsulfanyl)benzonitrile

C8H7NS (149.0299)


   

(5-Cyanopyrazin-2-yl)boronic acid

(5-Cyanopyrazin-2-yl)boronic acid

C5H4BN3O2 (149.0397)


   

4-Methyl-Benzothiazole

4-Methyl-Benzothiazole

C8H7NS (149.0299)


   

(2-amino-1h-imidazol-4-yl)-methanol hcl

(2-amino-1h-imidazol-4-yl)-methanol hcl

C4H8ClN3O (149.0356)


   

3-Fluoro-2-formylbenzonitrile

3-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

BENZO[B]THIOPHEN-7-AMINE

BENZO[B]THIOPHEN-7-AMINE

C8H7NS (149.0299)


   

5-METHYLBENZOTHIAZOLE

5-METHYLBENZOTHIAZOLE

C8H7NS (149.0299)


   

[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride

[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride

C4H8ClN3O (149.0356)


   

3-Cyanothioanisole

3-Cyanothioanisole

C8H7NS (149.0299)


   

6-Methyl-Benzothiazole

6-Methyl-Benzothiazole

C8H7NS (149.0299)


   

(4-FLUORO-PHENYL)-OXO-ACETONITRILE?

(4-FLUORO-PHENYL)-OXO-ACETONITRILE?

C8H4FNO (149.0277)


   

(3-FLUORO-PHENYL)-OXO-ACETONITRILE

(3-FLUORO-PHENYL)-OXO-ACETONITRILE

C8H4FNO (149.0277)


   

5-METHYL-[1,3,4]OXADIAZOL-2-YLMETHYLAMINE HCL

5-METHYL-[1,3,4]OXADIAZOL-2-YLMETHYLAMINE HCL

C4H8ClN3O (149.0356)


   

2-(methylthio)benzonitrile

2-(methylthio)benzonitrile

C8H7NS (149.0299)


   

2-Methyl-2-(nitrooxy)propanoic acid

2-Methyl-2-(nitrooxy)propanoic acid

C4H7NO5 (149.0324)


   

4-Cyano-3-fluorobenzaldehyde

4-Cyano-3-fluorobenzaldehyde

C8H4FNO (149.0277)


   

1-benzothiophen-4-amine

1-benzothiophen-4-amine

C8H7NS (149.0299)


   

Benzo[b]thiophen-6-amine

Benzo[b]thiophen-6-amine

C8H7NS (149.0299)


   

BENZO[B]THIOPHEN-3-AMINE

BENZO[B]THIOPHEN-3-AMINE

C8H7NS (149.0299)


   

Benzo[b]thiophen-5-amine

Benzo[b]thiophen-5-amine

C8H7NS (149.0299)


   

5-Fluoro-2-formylbenzonitrile

5-Fluoro-2-formylbenzonitrile

C8H4FNO (149.0277)


   

Benzo[b]thiophen-2-amine

Benzo[b]thiophen-2-amine

C8H7NS (149.0299)


   

1-(2-Thienyl)cyclopropanecarbonitrile

1-(2-Thienyl)cyclopropanecarbonitrile

C8H7NS (149.0299)


   

Thieno[2,3-b]pyridine, 4-methyl- (6CI,7CI,8CI,9CI)

Thieno[2,3-b]pyridine, 4-methyl- (6CI,7CI,8CI,9CI)

C8H7NS (149.0299)


   

2-Methylphenyl isothiocyanate

2-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

4-Methylphenyl isothiocyanate

4-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

3-Methylphenyl isothiocyanate

3-Methylphenyl isothiocyanate

C8H7NS (149.0299)


   

1H-Indol-3-ylhydrosulfide

1H-Indol-3-ylhydrosulfide

C8H7NS (149.0299)


   

2,2,3,3,3-Pentafluoro-1-propanamine

2,2,3,3,3-Pentafluoro-1-propanamine

C3H4F5N (149.0264)


   

(4-METHYL-1,2,5-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE

(4-METHYL-1,2,5-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE

C4H8ClN3O (149.0356)


   

creatinine hydrochloride

creatinine hydrochloride

C4H8ClN3O (149.0356)


   

(2-Fluorophenyl)(oxo)acetonitrile

(2-Fluorophenyl)(oxo)acetonitrile

C8H4FNO (149.0277)


   

4-Methylthieno[3,2-c]pyridine

4-Methylthieno[3,2-c]pyridine

C8H7NS (149.0299)


   

5-METHOXY-1H-PYRAZOL-3-AMINE HYDROCHLORIDE

5-METHOXY-1H-PYRAZOL-3-AMINE HYDROCHLORIDE

C4H8ClN3O (149.0356)


   

5-Methylbenzo[c]isothiazole

5-Methylbenzo[c]isothiazole

C8H7NS (149.0299)


   

2-Fluoro-3-formyl-benzonitrile

2-Fluoro-3-formyl-benzonitrile

C8H4FNO (149.0277)


   

Pyrimido[5,4-e]-as-triazin-3-ol (7CI,8CI)

Pyrimido[5,4-e]-as-triazin-3-ol (7CI,8CI)

C5H3N5O (149.0338)


   

Thieno[2,3-b]pyridine, 6-methyl- (7CI,8CI,9CI)

Thieno[2,3-b]pyridine, 6-methyl- (7CI,8CI,9CI)

C8H7NS (149.0299)


   

1-isocyano-4-methylsulfanylbenzene

1-isocyano-4-methylsulfanylbenzene

C8H7NS (149.0299)


   

3H-Indole-2-thiol

3H-Indole-2-thiol

C8H7NS (149.0299)


   

Pyrimido[5,4-e]-1,2,4-triazin-5(6H)-one

Pyrimido[5,4-e]-1,2,4-triazin-5(6H)-one

C5H3N5O (149.0338)


   

Hydroxyaspartic acid

Hydroxyaspartic acid

C4H7NO5 (149.0324)


   

beta-Hydroxyaspartic acid

beta-Hydroxyaspartic acid

C4H7NO5 (149.0324)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

Benzenediazonium, 4-carboxy-

Benzenediazonium, 4-carboxy-

C7H5N2O2+ (149.0351)


   

Tropeolin

InChI=1\C8H7NS\c9-7-10-6-8-4-2-1-3-5-8\h1-5H,6H

C8H7NS (149.0299)


   

Urogran

4-12-00-02276 (Beilstein Handbook Reference)

C8H7NS (149.0299)


Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].

   

120-75-2

InChI=1\C8H7NS\c1-6-9-7-4-2-3-5-8(7)10-6\h2-5H,1H

C8H7NS (149.0299)


   

DL-Threo-beta-Hydroxyaspartic Acid

DL-Threo-beta-Hydroxyaspartic Acid

C4H7NO5 (149.0324)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

(2R)-2-hydroxy-4-(methylsulfanyl)butanoate

(2R)-2-hydroxy-4-(methylsulfanyl)butanoate

C5H9O3S- (149.0272)


   

2-Deoxy-D-ribonate

2-Deoxy-D-ribonate

C5H9O5- (149.045)


A member of the class of ribonates that is the conjugate base of 2-deoxy-D-ribonic acid.

   

(2S)-2-azaniumyl-3-[hydroxy(nitroso)amino]propanoate

(2S)-2-azaniumyl-3-[hydroxy(nitroso)amino]propanoate

C3H7N3O4 (149.0437)


   

3-hydroxy-D-aspartic acid

3-hydroxy-D-aspartic acid

C4H7NO5 (149.0324)


A 3-hydroxyaspartic acid that has R configuration at the carbon bearing the amino group.

   

Guanidinium hydrogen oxalate

Guanidinium hydrogen oxalate

C3H7N3O4 (149.0437)


   

2-Carboxybenzenediazonium

2-Carboxybenzenediazonium

C7H5N2O2+ (149.0351)


   

3-Carboxybenzenediazonium

3-Carboxybenzenediazonium

C7H5N2O2+ (149.0351)


   

Benzyl thiocyanate

Benzyl thiocyanate

C8H7NS (149.0299)


   

Diethyldithiocarbamic acid

Diethyldithiocarbamic acid

C5H11NS2 (149.0333)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors

   

(3R)-3-hydroxy-L-aspartic acid

D-Aspartic acid,3-hydroxy-, (3S)-rel-

C4H7NO5 (149.0324)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

(3R)-3-hydroxy-D-aspartic acid

D-(+)-THREO-BETA-HYDROXYASPARTIC ACID

C4H7NO5 (149.0324)


A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has R configuration.

   

(3S)-3-hydroxy-D-aspartic acid

D-Aspartic acid,3-hydroxy-, (3S)-rel-

C4H7NO5 (149.0324)


A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has S configuration.

   

3-Hydroxy-L-aspartic acid

3-Hydroxy-L-aspartic acid

C4H7NO5 (149.0324)


A 3-hydroxyaspartic acid that has S configuration at the carbon bearing the amino group.

   

Nereistoxin

Nereistoxin

C5H11NS2 (149.0333)


Toxin isolated from marine segmented worm, Lumbriconereis heterodopa. It is also the active insecticide of the proinsecticide thiocyclam. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

   

(3S)-3-hydroxy-L-aspartic acid

(3S)-3-hydroxy-L-aspartic acid

C4H7NO5 (149.0324)


The (3S)-diastereomer of 3-hydroxy-L-aspartic acid.

   

N-Hydroxy-L-aspartate

N-Hydroxy-L-aspartate

C4H7NO5 (149.0324)


   

6-imino-9h-purin-8-one

6-imino-9h-purin-8-one

C5H3N5O (149.0338)


   

(2s)-2-(hydroxyamino)butanedioic acid

(2s)-2-(hydroxyamino)butanedioic acid

C4H7NO5 (149.0324)


   

2-amino-3-[hydroxy(nitroso)amino]propanoic acid

2-amino-3-[hydroxy(nitroso)amino]propanoic acid

C3H7N3O4 (149.0437)